298117 <common-name>8-chloro-5-[3-(dimethylamino)propyl]-3,4-dihydro-2h-1-benzoxepin-5-ol</common-name> <description>8-chloro-5-[3-(dimethylamino)propyl]-3,4-dihydro-2h-1-benzoxepin-5-ol belongs to the benzoxepines, a class of organoheterocyclic compounds within the organic compounds. It has the formula C15H22ClNO2 and an average molecular weight of 283.79 g/mol.</description> <cas nil="true"/> <pubchem-id>37739</pubchem-id> <chemical-formula>C15H22ClNO2</chemical-formula> <weight>283.79</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-28T14:30:25Z</created-at> <updated-at type="dateTime">2026-08-28T14:30:25Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CN(C)CCCC1(CCCOC2=C1C=CC(=C2)Cl)O</moldb-smiles> <moldb-formula>C15H22ClNO2</moldb-formula> <moldb-inchi>InChI=1S/C15H22ClNO2/c1-17(2)9-3-7-15(18)8-4-10-19-14-11-12(16)5-6-13(14)15/h5-6,11,18H,3-4,7-10H2,1-2H3</moldb-inchi> <moldb-inchikey>RFSCKIVPZYGSDL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">283.1339066</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM294010</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>8-chloro-5-[3-(dimethylamino)propyl]-3,4-dihydro-2h-1-benzoxepin-5-ol</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Benzoxepines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0249481</sync-id> <structure-inchikey>RFSCKIVPZYGSDL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>408000010000000000880000020000000000000400000000000080000000000000000000000000000000400000000000000000000000400000000000000000000000000000400000000000000800000008800000000400000000000000000000000810010080000000000000104000000000020000220000100000000000000800000048000000000000000000000020300000000000000000000000000000000000000000000000000000080000000000000100000000000000000000004000000000000000000000000000004000000010000000000000000200000000000000000000000000000040000000410000000001000000080000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������`������� ������`�������`�������`�������(������@(������@(������@h�������@h�������@(������@h�������� ������`������������������������������� � � � ��h�� h� �h���h���h������������h�B�������� ��� ���������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:08:47Z</structure-indexed-at> </compound>